SCHEMBL531180

SCHEMBL531180

CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccc2c(c1)CCC2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 8/20 0.52
MAPT P10636 6/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL530471 0.85 MAPT (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL529049 0.83 MAPT (0.57) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL530943 0.80 MAPT (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL529695 0.79 MAPT (0.50) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL527915 0.78 ALDH1A1 (0.59) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL528449 0.75 ALDH1A1 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL529111 0.73 MAPT (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL528208 0.73 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL529488 0.72 ALDH1A1 (0.63) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL528645 0.72 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed